REMARK Name = BDB035330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.313 -1.847 -0.357 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -1.646 -2.965 -1.053 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -2.913 -3.447 -1.024 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.899 -2.820 -0.272 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.582 -1.692 0.483 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -2.262 -1.224 0.444 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 3.798 1.306 -0.327 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.484 1.379 0.085 0.00 0.00 -0.352 N ATOM 9 H LIG 1 2.047 2.155 0.570 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 1.832 0.226 -0.265 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.732 -0.585 -0.913 0.00 0.00 +0.018 A ATOM 12 C LIG 1 2.270 -1.844 -1.386 0.00 0.00 +0.081 A ATOM 13 C LIG 1 0.982 -2.189 -1.176 0.00 0.00 +0.109 A ATOM 14 N LIG 1 0.047 -1.373 -0.496 0.00 0.00 -0.266 N ATOM 15 C LIG 1 0.442 -0.090 -0.014 0.00 0.00 +0.281 A ATOM 16 O LIG 1 -0.269 0.733 0.555 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 3.972 0.080 -0.953 0.00 0.00 +0.033 A BRANCH 7 20 ATOM 18 C LIG 1 5.950 1.768 1.930 0.00 0.00 +0.105 C ATOM 19 N LIG 1 6.027 1.901 0.476 0.00 0.00 -0.293 NA ATOM 20 C LIG 1 4.761 2.434 -0.084 0.00 0.00 +0.129 C ATOM 21 C LIG 1 5.005 3.232 -1.391 0.00 0.00 +0.185 C ATOM 22 O LIG 1 5.824 4.395 -1.183 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 6.820 4.204 -0.170 0.00 0.00 +0.175 C ATOM 24 C LIG 1 7.179 2.729 0.066 0.00 0.00 +0.113 C ENDBRANCH 7 20 BRANCH 12 25 ATOM 25 C LIG 1 3.260 -2.712 -2.099 0.00 0.00 +0.419 C ATOM 26 F LIG 1 2.712 -3.887 -2.516 0.00 0.00 -0.166 F ATOM 27 F LIG 1 3.768 -2.117 -3.211 0.00 0.00 -0.166 F ATOM 28 F LIG 1 4.316 -3.048 -1.313 0.00 0.00 -0.166 F ENDBRANCH 12 25 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 -4.601 -1.007 1.297 0.00 0.00 -0.005 A ATOM 30 C LIG 1 -5.006 0.326 1.057 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -5.961 0.952 1.869 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.508 0.252 2.934 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -7.418 0.848 3.715 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -6.130 -1.057 3.201 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -5.183 -1.684 2.387 0.00 0.00 +0.012 A BRANCH 30 36 ATOM 36 C LIG 1 -4.479 1.086 -0.101 0.00 0.00 +0.247 C ATOM 37 N LIG 1 -3.838 2.271 0.177 0.00 0.00 -0.292 N ATOM 38 C LIG 1 -3.120 2.687 1.377 0.00 0.00 +0.146 C ATOM 39 C LIG 1 -2.452 3.762 0.502 0.00 0.00 +0.200 C ATOM 40 F LIG 1 -1.119 3.934 0.668 0.00 0.00 -0.242 F ATOM 41 C LIG 1 -2.895 2.939 -0.718 0.00 0.00 +0.146 C ATOM 42 O LIG 1 -4.649 0.655 -1.236 0.00 0.00 -0.270 OA ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 43 ATOM 43 C LIG 1 -3.235 -4.669 -1.851 0.00 0.00 +0.038 C ATOM 44 C LIG 1 -3.639 -5.960 -1.175 0.00 0.00 +0.010 C ATOM 45 C LIG 1 -2.299 -5.857 -1.839 0.00 0.00 +0.010 C ENDBRANCH 3 43 TORSDOF 6